4-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylbenzamide

C19H17N3O3S — CID 1118209

IUPAC4-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylbenzamide
SMILESCN(c1ccc(C(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H17N3O3S/c1-22(26(24,25)18-7-3-2-4-8-18)17-11-9-15(10-12-17)19(23)21-16-6-5-13-20-14-16/h2-14H,1H3,(H,21,23)
InChIKeyKGUKECLCMQOJKD-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.16
Rot. Bonds5

About 4-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylbenzamide

4-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylbenzamide (PubChem CID 1118209) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylbenzamide
PubChem CID1118209
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylbenzamide
SMILESCN(c1ccc(C(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H17N3O3S/c1-22(26(24,25)18-7-3-2-4-8-18)17-11-9-15(10-12-17)19(23)21-16-6-5-13-20-14-16/h2-14H,1H3,(H,21,23)
InChIKeyKGUKECLCMQOJKD-UHFFFAOYSA-N
XLogP3.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylbenzamide (CID 1118209) is 4-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylbenzamide is CN(c1ccc(C(=O)Nc2cccnc2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylbenzamide?
The InChIKey is KGUKECLCMQOJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-22(26(24,25)18-7-3-2-4-8-18)17-11-9-15(10-12-17)19(23)21-16-6-5-13-20-14-16/h2-14H,1H3,(H,21,23).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylbenzamide?
4-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylbenzamide has a molecular weight of 367.43 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 1118209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).